1-Fluoro-3-(2,2,2-trifluoroethoxy)benzene
Basic information
- CAS
62158-86-5- Standard SMILES
Fc1cccc(OCC(F)(F)F)c1- InChIKey
FFDKHEDGBGJRBR-UHFFFAOYSA-N- Molecular formula
- C8H6F4O
- Average molar mass
- 194.13 g/mol
- Monoisotopic mass
- 194.03547746
Names & identifiers
- Preferred name
- 1-Fluoro-3-(2,2,2-trifluoroethoxy)benzene
- IUPAC
- 1-fluoro-3-(2,2,2-trifluoroethoxy)benzene
Names & synonyms
1-Fluoro-3-(2,2,2-trifluoroethoxy)benzene62158-86-5SCHEMBL161368SCHEMBL5415387SCHEMBL28221173DTXSID50733992FFDKHEDGBGJRBR-UHFFFAOYSA-NAKOS009171832
Database identifiers
- CAS
62158-86-5- PubChem CID
- 60733162
- DTXSID
DTXSID50733992- Nikkaji
- J1.686.903A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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